4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one

C18H23N5O3S — CID 136821067

IUPAC4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(=O)N2CC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)s1
InChIInChI=1S/C18H23N5O3S/c1-11-16(27-12(2)19-11)17(25)23-4-3-13(10-23)14-9-15(24)21-18(20-14)22-5-7-26-8-6-22/h9,13H,3-8,10H2,1-2H3,(H,20,21,24)/t13-/m0/s1
InChIKeyWWECWSFFXDWWTR-ZDUSSCGKSA-N
MW389.48 g/mol
LogP1.31
Rot. Bonds3

About 4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one

4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 136821067) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID136821067
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(=O)N2CC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)s1
InChIInChI=1S/C18H23N5O3S/c1-11-16(27-12(2)19-11)17(25)23-4-3-13(10-23)14-9-15(24)21-18(20-14)22-5-7-26-8-6-22/h9,13H,3-8,10H2,1-2H3,(H,20,21,24)/t13-/m0/s1
InChIKeyWWECWSFFXDWWTR-ZDUSSCGKSA-N
XLogP1.31
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136765877
4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136821065
2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821061
2-morpholin-4-yl-4-[1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136765876
2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821055
2-morpholin-4-yl-4-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821068
2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129325104
4-[(3R)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137149613
6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124947702
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699345
2-(dimethylamino)-4-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821108
[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 110082514

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 136821067) is 4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one is Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)s1.
What is the InChIKey of 4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is WWECWSFFXDWWTR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-11-16(27-12(2)19-11)17(25)23-4-3-13(10-23)14-9-15(24)21-18(20-14)22-5-7-26-8-6-22/h9,13H,3-8,10H2,1-2H3,(H,20,21,24)/t13-/m0/s1.
What are the key properties of 4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 389.48 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136821067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).